4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide

C18H19ClN2O3 — CID 119762210

IUPAC4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C18H19ClN2O3/c1-23-17-9-15(20)14(19)8-13(17)18(22)21-10-11-6-7-24-16-5-3-2-4-12(11)16/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,21,22)
InChIKeyQJJHHJWMNBXAKO-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.23
Rot. Bonds4

About 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide

4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide (PubChem CID 119762210) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide
PubChem CID119762210
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C18H19ClN2O3/c1-23-17-9-15(20)14(19)8-13(17)18(22)21-10-11-6-7-24-16-5-3-2-4-12(11)16/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,21,22)
InChIKeyQJJHHJWMNBXAKO-UHFFFAOYSA-N
XLogP3.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxybenzamide;hydrochloride
CID 119756204
4-amino-5-chloro-N-[[1-[2-(2-hydroxyphenyl)ethenyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 174744727
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288
4-amino-5-chloro-N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 45275446
4-amino-5-chloro-2-methoxy-N-[[1-(3-phenylsulfanylpropyl)piperidin-4-yl]methyl]benzamide
CID 54506693
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
4-amino-N-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]methyl]-5-chloro-2-methoxybenzamide
CID 10407929
4-amino-5-chloro-2-methoxy-N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 14877438
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
CID 129399359

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide (CID 119762210) is 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCC1CCOc2ccccc21.
What is the InChIKey of 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide?
The InChIKey is QJJHHJWMNBXAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-23-17-9-15(20)14(19)8-13(17)18(22)21-10-11-6-7-24-16-5-3-2-4-12(11)16/h2-5,8-9,11H,6-7,10,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide?
4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide is sourced from PubChem (CID 119762210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).